SCHEMBL7862949

SCHEMBL7862949

[C-]#[N+]c1ccc(Cl)nc1NC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.33
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33
LMNA P02545 2/20 0.33
CCNA2 P20248 2/20 0.33
CCNA1 P78396 2/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
GLP1R P43220 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
LATS1 O95835 2/20 0.31
LATS2 Q9NRM7 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7864085 0.80
SCHEMBL21539326 0.73 CCNE2 (0.39) CCNE2CCNE1CDK2LMNACCNA2
SCHEMBL7857522 0.70 CYP1A2 (0.40) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL5530391 0.70 CHRNB2 (0.33)
SCHEMBL21539325 0.69 GLP1R (0.36) CCNE2CCNE1CDK2LMNACCNA2
SCHEMBL2527165 0.69 RPS6KA5 (0.36) CCNE2CCNE1CDK2LMNACCNA2
SCHEMBL7861822 0.69 CRHBP (0.30)
SCHEMBL7862938 0.68 APP (0.47) LMNACDK1
SCHEMBL2525382 0.68 MAPK8 (0.44) CCNE2CCNE1CDK2CCNA2SMN1; SMN2
SCHEMBL21522837 0.67 MAPT (0.55) LMNAPOLBHTTCYP1A2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 CCNE2 3327/4885CCNE1 4465/4885CDK2 1291/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CCNE2 3327/4885CCNE1 4465/4885CDK2 1291/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CCNE2 3327/4885CCNE1 4465/4885CDK2 1291/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CCNE2 3327/4885CCNE1 4465/4885CDK2 1291/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 CCNE2 3327/4885CCNE1 4465/4885CDK2 1291/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.